I imagine they could, yes. Motivation to do so is another question entirely.

Considering myself more of an experienced amateur, and a fan of the Socratic Method, let me ask you a few questions:

What do you currently understand about the relationship between two atoms in a material and the mean square relative displacement
(i.e. sigma^2) associated with the distance between them?
What does it mean to have a mean-square-displacement? ..and then a mean-square-relative displacement?
How would correlated, anti-correlated and uncorrelated relative motion affect the msrd?

Now extend this thinking to an ensemble of atoms.
What might you expect to be the source of a msrd in a perfect crystal at finite temperature?
What additional contribution may result from imperfections?








On Wed, Jun 7, 2017 at 7:12 PM, Shaofeng Wang <wangshaofeng@iae.ac.cn> wrote:
Dear everyone,
 
Could experts explain the relationship between sigma2 and atomic distance of same two atoms?
 
 
Best regards,

Shaofeng

--------------------------------------
Shaofeng Wang, Ph.D of Geochemistry
Environmental Molecular Science Group
Institute of Applied Ecology, Chinese Academy of Sciences
Shenyang, 110016, China
wangshaofeng@iae.ac.cn
www.iae.cas.cn

 
Sent: Friday, June 02, 2017 4:32 PM
Subject: [Ifeffit] a question about S02
 
Hi everyone,
 
I am fitting a standard material scorodite. The fitting results are pretty good, but the S02 is around 1.2 when the k range = 4-13.5. Is this result reasonable? Please see the attached files.
 
 
 
Best regards,

Shaofeng

--------------------------------------
Shaofeng Wang, Ph.D of Geochemistry
Environmental Molecular Science Group
Institute of Applied Ecology, Chinese Academy of Sciences
Shenyang, 110016, China
wangshaofeng@iae.ac.cn
www.iae.cas.cn

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